2-[7-azanyl-1-(2-methylphenyl)-5-oxidanylidene-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[7-azanyl-1-(2-methylphenyl)-5-oxidanylidene-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one Openeye Name: 2-[7-amino-1-(o-tolyl)-5-oxo-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one CAS Name: 2-[7-amino-1-(2-methylphenyl)-5-oxo-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one IUPAC Name: 2-[7-amino-1-(2-methylphenyl)-5-oxo-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one Traditional Name: 2-[7-amino-5-keto-1-(o-tolyl)-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCCC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1N2CCCC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O2/c1-13-7-2-5-10-16(13)25-12-6-11-17(26)18(19(25)22)20-23-15-9-4-3-8-14(15)21(27)24-20/h2-5,7-10H,6,11-12,22H2,1H3,(H,23,24,27)